![4-[4-(4-Fluorobenzoyl)piperazin-1-yl]benzonitrile structure](/static/products/4780/478046-83-2.webp)
4-[4-(4-Fluorobenzoyl)piperazin-1-yl]benzonitrile
TL;DR: 4-[4-(4-Fluorobenzoyl)piperazin-1-yl]benzonitrile (CAS 478046-83-2) is a chemical compound with molecular formula C18H16FN3O and molecular weight 309.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-fluorobenzoyl)piperazin-1-yl]benzonitrile
Also Known As: 4-[4-(4-fluorobenzoyl)piperazin-1-yl]benzonitrile, 4-[4-(4-fluorobenzoyl)piperazino]benzenecarbonitrile, 4R-0297
| Molecular Formula | C18H16FN3O |
|---|---|
| Molecular Weight | 309.13 g/mol |
| LogP | 2.65978 |
| Topological Polar Surface Area | 47.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.12775 |
| Heavy Atoms | 23 |
| Complexity | 726.3572 |
Chemical Identifiers
| CAS Number | 478046-83-2 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)F |
Product Overview
4-[4-(4-Fluorobenzoyl)piperazin-1-yl]benzonitrile (CAS 478046-83-2), with molecular formula C18H16FN3O and molecular weight 309.13 g/mol. IUPAC: 4-[4-(4-fluorobenzoyl)piperazin-1-yl]benzonitrile.
Chemical Property Profile of 4-[4-(4-Fluorobenzoyl)piperazin-1-yl]benzonitrile
Property Insights of 4-[4-(4-Fluorobenzoyl)piperazin-1-yl]benzonitrile
The XLogP value of 2.65978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-(4-Fluorobenzoyl)piperazin-1-yl]benzonitrile. With a topological polar surface area (TPSA) of 47.34 Ų, 4-[4-(4-Fluorobenzoyl)piperazin-1-yl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[4-(4-Fluorobenzoyl)piperazin-1-yl]benzonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[4-(4-Fluorobenzoyl)piperazin-1-yl]benzonitrile?
The CAS number of 4-[4-(4-Fluorobenzoyl)piperazin-1-yl]benzonitrile is 478046-83-2.
What is the molecular formula of 4-[4-(4-Fluorobenzoyl)piperazin-1-yl]benzonitrile?
The molecular formula of 4-[4-(4-Fluorobenzoyl)piperazin-1-yl]benzonitrile is C18H16FN3O.
What is the molecular weight of 4-[4-(4-Fluorobenzoyl)piperazin-1-yl]benzonitrile?
The molecular weight of 4-[4-(4-Fluorobenzoyl)piperazin-1-yl]benzonitrile is 309.13 g/mol.
Where can I buy 4-[4-(4-Fluorobenzoyl)piperazin-1-yl]benzonitrile?
You can request a quote for 4-[4-(4-Fluorobenzoyl)piperazin-1-yl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(4-Fluorobenzoyl)piperazin-1-yl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(4-Fluorobenzoyl)piperazin-1-yl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.